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Electronic properties of an organometallicd0precatalyst in the ground and excited states

✍ Scribed by G. V. Loukova; A. A. Milov; V. P. Vasiliev; V. A. Smirnov

Book ID
110160543
Publisher
SP MAIK Nauka/Interperiodica
Year
2007
Tongue
English
Weight
287 KB
Volume
417
Category
Article
ISSN
0012-5016

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Electronic Structure of the Ground and E
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✍ Vicente PΓ©rez MondΓ©jar; Inmaculada GarcΓ­a Cuesta; Paolo Lazzeretti; JosΓ© SΓ‘nchez πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 276 KB

## Abstract Coupled‐cluster calculations are used to compute the energy of conversion between the neutral and the zwitterionic forms of β‐carboline. The stability of the different species is discussed in terms of charge separation and aromatic character, which is related to magnetic criteria. By me